Details of the Drug

General Information of Drug (ID: DM8PB90)

Drug Name

N-(2-aminophenyl)benzamide

Synonyms

N-(2-aminophenyl)benzamide; 2'-AMINOBENZANILIDE; 721-47-1; CHEMBL405072; AC1LFSYX; AC1Q5NOK; ACMC-1AE0C; Oprea1_478192; MLS000084661; SCHEMBL407834; N-(2-amino-phenyl)-benzamide; AC1Q514U; Benzamide, N-(2-aminophenyl)-; CTK2H2825; DTXSID60353948; RFDVMOUXHKTCDO-UHFFFAOYSA-N; MolPort-001-783-352; ZINC225957; HMS2355D18; STL497474; BDBM50232046; AKOS000133162; MCULE-5545982713; NE17312; SMR000019009; TC-170926; KB-298435; ST51030142; EN300-31745; SR-01000389415; AE-641/00785046

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

212.25

Topological Polar Surface Area (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H12N2O
IUPAC Name: N-(2-aminophenyl)benzamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
InChI: InChI=1S/C13H12N2O/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
InChIKey: RFDVMOUXHKTCDO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 759408
CAS Number: 721-47-1
TTD ID: D0U8FC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase 2 (HDAC2)	TTSHTOI	HDAC2_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histone deacetylase 2 (HDAC2)	DTT	HDAC2	8.48E-01	-7.29E-04	-4.65E-03

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides. Bioorg Med Chem Lett. 2010 May 15;20(10):3142-5.
2	A phase I pharmacokinetic and pharmacodynamic study of CHR-3996, an oral class I selective histone deacetylase inhibitor in refractory solid tumors. Clin Cancer Res. 2012 May 1;18(9):2687-94.
3	HDAC inhibitors: a 2013-2017 patent survey.Expert Opin Ther Pat. 2018 Apr 19:1-17.